CHEBI:231144 - DG(2:0/18:1(12Z)-2OH(9,10)/0:0)

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ChEBI Name DG(2:0/18:1(12Z)-2OH(9,10)/0:0)
ChEBI ID CHEBI:231144
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H42O7
Net Charge 0
Average Mass 430.582
Monoisotopic Mass 430.29305
InChI InChI=1S/C23H42O7/c1-3-4-5-6-8-11-14-21(26)22(27)15-12-9-7-10-13-16-23(28)30-20(17-24)18-29-19(2)25/h8,11,20-22,24,26-27H,3-7,9-10,12-18H2,1-2H3/b11-8-/t20-,21-,22-/m0/s1
InChIKey FNVGXHMDBZXTGY-XSHBVEAHSA-N
SMILES O[C@@H](CCCCCCCC(O[C@H](COC(=O)C)CO)=O)[C@@H](O)C/C=C\CCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing DG(2:0/18:1(12Z)-2OH(9,10)/0:0) (CHEBI:231144) is a organic molecular entity (CHEBI:50860)
IUPAC Name
[(2S)-1-acetyloxy-3-hydroxypropan-2-yl] (Z,9S,10S)-9,10-dihydroxyoctadec-12-enoate
Manual Xrefs Databases
117216166 ChemSpider
HMDB0296963 HMDB
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